N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-4-pyrazol-1-yl-benzamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H22N4O2/c1-15(2)20(26)24-18-6-3-5-16(13-18)14-22-21(27)17-7-9-19(10-8-17)25-12-4-11-23-25/h3-13,15H,14H2,1-2H3,(H,22,27)(H,24,26)